SCHEMBL7196332

SCHEMBL7196332

CCCOc1ccc(CC)cc1CCC(=O)c1c(OCCC)ccc(OCCC)c1OCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.44
SLC5A2 P31639 2/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
AKT1 P31749 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
LTB4R Q15722 1/20 0.37
CA9 Q16790 2/20 0.37
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
APAF1 O14727 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7192835 0.94 SLC5A1 (0.41) SLC5A1SLC5A2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7193435 0.93 LTB4R (0.45) SLC5A1SLC5A2SMN1; SMN2L3MBTL1LMNA
SCHEMBL7193964 0.93 SLC5A1 (0.44) SLC5A1SLC5A2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7192437 0.92 LTB4R (0.47) SMN1; SMN2L3MBTL1LTB4RMAPTAPAF1
SCHEMBL7190531 0.89 SLC5A1 (0.45) SLC5A1SLC5A2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7199059 0.88 SLC5A1 (0.42) SLC5A1SLC5A2MTNR1AMTNR1BAKT1
SCHEMBL7195025 0.87 SLC5A1 (0.41) SLC5A1SLC5A2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7188087 0.86 MTNR1A (0.50) SLC5A1SLC5A2MTNR1AMTNR1BL3MBTL1
SCHEMBL7196497 0.86 LTB4R (0.45) SLC5A1SLC5A2SMN1; SMN2L3MBTL1LMNA
SCHEMBL7187189 0.85 LTB4R (0.47) SMN1; SMN2L3MBTL1LTB4RMAPTAPAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 SLC5A1 3292/4885SLC5A2 4543/4885MTNR1A 2653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.